REMARK  Name = BDB054793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.778   0.918   0.446  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        1.906   0.079   0.489  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        3.179   0.543   0.112  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.288   1.866  -0.320  0.00  0.00    +0.147 A 
ATOM      5  F   LIG    1        4.457   2.371  -0.737  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        2.178   2.709  -0.374  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.925   2.239   0.007  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        4.314  -0.334   0.174  0.00  0.00    -0.249 N 
ATOM      9  C   LIG    1        5.655  -0.005   0.442  0.00  0.00    +0.200 A 
ATOM     10  C   LIG    1        6.391  -1.170   0.481  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.532  -2.245   0.207  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        4.271  -1.729   0.009  0.00  0.00    +0.200 A 
BRANCH   9  13
ATOM     13  O   LIG    1        6.129   1.212   0.701  0.00  0.00    -0.493 OA
ATOM     14  H   LIG    1        5.508   1.888   0.380  0.00  0.00    +0.294 HD
ENDBRANCH   9  13
BRANCH  12  15
ATOM     15  O   LIG    1        3.160  -2.378  -0.337  0.00  0.00    -0.493 OA
ATOM     16  H   LIG    1        3.398  -3.312  -0.478  0.00  0.00    +0.294 HD
ENDBRANCH  12  15
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.582   0.399   0.858  0.00  0.00    +0.094 C 
BRANCH  17  27
ATOM     18  O   LIG    1       -4.029  -0.632  -3.324  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -3.293  -0.426  -2.364  0.00  0.00    +0.270 A 
ATOM     20  C   LIG    1       -3.827  -0.280  -0.992  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -5.313  -0.408  -0.800  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.772   0.091   0.577  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -4.826  -0.382   1.677  0.00  0.00    +0.102 C 
ATOM     24  N   LIG    1       -3.461   0.023   1.351  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -2.780  -0.238   2.059  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -2.998  -0.065   0.041  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -1.534   0.079  -0.290  0.00  0.00    +0.087 A 
ATOM     28  N   LIG    1       -1.051  -0.076  -1.488  0.00  0.00    -0.174 NA
ATOM     29  N   LIG    1       -1.933  -0.338  -2.490  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.543  -0.436  -3.422  0.00  0.00    +0.192 HD
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 5